1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide

C19H18N6O3S — CID 19509218

IUPAC1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3cccs3)[nH]n2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C19H18N6O3S/c1-2-25-11-15(17(24-25)19(27)20-10-12-5-3-7-28-12)21-18(26)14-9-13(22-23-14)16-6-4-8-29-16/h3-9,11H,2,10H2,1H3,(H,20,27)(H,21,26)(H,22,23)
InChIKeyCYSBTXROOKFYLO-UHFFFAOYSA-N
MW410.46 g/mol
LogP3.13
Rot. Bonds7

About 1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide

1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide (PubChem CID 19509218) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
PubChem CID19509218
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC Name1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3cccs3)[nH]n2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C19H18N6O3S/c1-2-25-11-15(17(24-25)19(27)20-10-12-5-3-7-28-12)21-18(26)14-9-13(22-23-14)16-6-4-8-29-16/h3-9,11H,2,10H2,1H3,(H,20,27)(H,21,26)(H,22,23)
InChIKeyCYSBTXROOKFYLO-UHFFFAOYSA-N
XLogP3.13
TPSA117.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide
CID 2110833
N-{(1Z)-3-[(furan-2-ylmethyl)amino]-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}benzamide
CID 5733807
N-(furan-2-ylmethyl)-2-(3-(4-methylpiperazine-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl)acetamide
CID 30865720
1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 45503141
N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-1-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 49677364
N-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-5-carboxamide
CID 19398132
1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19508299
N-(furan-2-ylmethyl)-1-methyl-4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19508310
1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19514633
4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19514644
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
CID 32601711
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761836

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide (CID 19509218) is 1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)c2cc(-c3cccs3)[nH]n2)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide?
The InChIKey is CYSBTXROOKFYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c1-2-25-11-15(17(24-25)19(27)20-10-12-5-3-7-28-12)21-18(26)14-9-13(22-23-14)16-6-4-8-29-16/h3-9,11H,2,10H2,1H3,(H,20,27)(H,21,26)(H,22,23).
What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide?
1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19509218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).